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142023-26-5 | 1H-2-Benzopyran-1-one, 3-(2,6-dihydroxyphenyl)-
CAS No: 142023-26-5 Catalog No: AG001HLD MDL No:
Product Description
Catalog Number:
AG001HLD
Chemical Name:
1H-2-Benzopyran-1-one, 3-(2,6-dihydroxyphenyl)-
CAS Number:
142023-26-5
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
IUPAC Name:
3-(2,6-dihydroxyphenyl)isochromen-1-one
InChI:
InChI=1S/C15H10O4/c16-11-6-3-7-12(17)14(11)13-8-9-4-1-2-5-10(9)15(18)19-13/h1-8,16-17H
InChI Key:
UNVCQMLTMLBEKN-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1c1cc2ccccc2c(=O)o1)O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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